(524j) Exploring the Kinetics, Thermodynamics, and Surface Tension of a Complex Dynamic Epoxy Surface Reaction

Surface morphology impacts the material properties of multi-layer multifunctional nanocomposites.  Understanding the phenomena can lead to better control of desired properties.  In an epoxy-amide reaction forming nanocomposites, experimentally measuring surface tension can be difficult, especially if side reactions exist.  Preliminary experimental work demonstrated that the surface tension is impacted by side reaction, which can lead to Marangoni Effect hexagon formations of curing epoxies on spin coated PET substrates.  Understanding some of the dynamics occurring with a side reaction are nearly impossible to experimentally determine due to limitations of detection and equipment limits.   Molecular Simulation is now being used as a tool to explore why zwitterion carboxylate and carbamate formation occurs under given environmental conditions.  Kinetic and thermodynamic properties are being derived in order to confirm experimental data of what is occurring as the surface using ATR FT-IR, and dynamic simulations are being conducted in order to explain surface tension phenomena observed.